1898-13-1

西柏烯(1898-13-1)红外图谱(IR2)

分子式:C20H32

分子量: 272.47

InChI:InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1

InChIKey: DMHADBQKVWXPPM-QXIQWJTQSA-N

Smiles:C1[C@H](C(C)C)CCC(C)=CCCC(C)=CCC=C(C)C=1 |t:8,13,16,19|

IR1

IR2

Mass

MS-NW-8207          
(S-(e,z,e,e))-14-isopropyl-3,7,11-trimethyl-1,3,6,10-cyclotetradecatetraene
C20H32              (Mass of molecular ion:    272)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       5.3
      29.0       7.8
      39.0       7.0
      40.0       1.5
      41.0      33.9
      42.0       1.9
      43.0      19.4
      51.0       1.8
      52.0       1.0
      53.0      12.5
      54.0       1.3
      55.0      32.8
      56.0       1.9
      57.0       5.8
      65.0       6.3
      66.0       2.0
      67.0      20.2
      68.0       5.9
      69.0      29.8
      70.0       2.2
      71.0       1.7
      77.0      18.1
      78.0       4.5
      79.0      29.2
      80.0      12.9
      81.0      64.0
      82.0       7.0
      83.0       8.5
      91.0      34.5
      92.0      10.8
      93.0      73.8
      94.0      14.2
      95.0      29.1
      96.0       3.7
      97.0       4.4
     103.0       2.9
     104.0       1.7
     105.0      50.3
     106.0      14.8
     107.0      57.1
     108.0      20.7
     109.0      29.3
     110.0       3.5
     111.0       3.3
     115.0       3.5
     116.0       1.8
     117.0       7.2
     118.0       2.9
     119.0      51.8
     120.0      22.5
     121.0      51.5
     122.0      14.7
     123.0      22.0
     124.0       3.1
     128.0       2.1
     129.0       2.8
     130.0       1.7
     131.0      12.5
     132.0       5.9
     133.0      40.9
     134.0      29.4
     135.0      31.4
     136.0      28.6
     137.0       8.7
     138.0       1.0
     143.0       1.6
     144.0       1.1
     145.0      20.1
     146.0       6.1
     147.0      26.3
     148.0      22.7
     149.0      26.4
     150.0       8.3
     151.0       1.8
     159.0      18.3
     160.0       6.4
     161.0      33.2
     162.0      12.8
     163.0       7.1
     164.0       4.0
     165.0       1.4
     173.0      14.8
     174.0       4.2
     175.0      10.2
     176.0       4.6
     177.0       5.4
     178.0       1.4
     187.0      17.3
     188.0       6.9
     189.0      23.1
     190.0       6.8
     191.0       4.8
     192.0       2.1
     201.0       9.5
     202.0       5.6
     203.0       4.5
     204.0       4.2
     215.0       4.3
     216.0       2.9
     217.0       3.2
     229.0      57.8
     230.0      11.9
     231.0       1.4
     243.0       4.1
     244.0       1.9
     257.0      13.9
     258.0       3.0
     272.0     100.0
     273.0      22.5
     274.0       2.4

KBr disc

nujol mull